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Computer generation of the symmetry elements of nonrigid molecules

✍ Scribed by K. Balasubramanian

Publisher: John Wiley and Sons
Year: 1983
Tongue: English
Weight: 406 KB
Volume: 4
Category: Article
ISSN: 0192-8651
DOI: 10.1002/jcc.540040304

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✦ Synopsis

Algorithms and computer programs are developed for generating the symmetry elements of nonrigid molecules. These programs are based on the wreath product formalism for the symmetry groups of nonrigid molecules developed by the present author. Several examples are given to illustrate the procedures. Applications to weakly bound van der Waal complexes synthesized by supersonic beam expansion are also presented.

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